CID 71579378

Gramniphenol g

Structural Information

Molecular Formula

C₂₀H₁₈O₃

SMILES

CC1(C=CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C20H18O3/c1-20(2)9-8-14-10-15-11-17(22-18(15)12-19(14)23-20)13-4-6-16(21-3)7-5-13/h4-12H,1-3H3

InChIKey

UDHFTJHEOIOAAC-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-7,7-dimethylfuro[3,2-g]chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 306.12558 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	307.132856	170.5
[M+Na]+	329.114798	182.2
[M-H]-	305.118304	181.6
[M+NH4]+	324.159403	189.1
[M+K]+	345.088738	179.7
[M+H-H2O]+	289.122840	163.3
[M+HCOO]-	351.123781	191.8
[M+CH3COO]-	365.139431	184.3
[M+Na-2H]-	327.100246	177.7
[M]+	306.12503142	177.2
[M]-	306.12612858	177.2

Literature stripe

literature stripe

Patent stripe

patents stripe